NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.4049 8.2033 119.1213 54.1884 30.3861 173.7191 2 V 4.9606 7.5746 110.9969 58.9721 35.0875 173.1942 3 Q 4.6517 9.8224 123.3899 55.0644 33.2729 172.9068 4 L 5.0462 8.4605 119.1462 53.0571 44.3857 175.6291 5 V 4.3161 8.6359 124.8458 61.5448 33.2487 174.4660 6 E 5.8242 9.0129 126.5913 54.4149 31.9654 175.2140 7 S 4.4735 8.2533 116.2094 57.5401 66.2798 175.2334 *9 G 3.7617 8.7826 109.5121 45.3423 0.0000 173.9164 10 G 4.1469 7.4154 105.8022 46.3411 0.0000 172.5705 11 N 4.6112 8.1440 118.2808 52.1260 42.4725 173.1665 12 L 4.5874 8.5396 125.2148 55.6550 42.9113 176.3368 13 V 4.5703 8.6657 117.4680 60.3497 36.8690 173.7010 14 Q 5.1674 8.3972 120.7328 53.4562 30.9112 173.8190 15 P 4.6657 0.0000 0.0000 64.0998 31.7146 176.3435 16 G 4.0799 8.9413 112.3050 45.3899 0.0000 174.3319 17 G 3.9005 8.1021 106.9381 46.2713 0.0000 173.3726 18 S 4.9037 7.9829 115.9664 56.6535 66.0862 172.7605 19 L 4.1440 7.5472 116.9548 54.4652 45.9175 173.0731 20 R 4.8359 8.5005 125.9959 54.1940 31.1861 174.7511 21 L 4.6153 8.0206 125.9651 54.4386 43.3920 176.0365 22 S 5.4568 9.2715 114.6018 57.3857 67.3203 172.5339 23 C 5.0512 9.3408 120.6621 55.1082 46.3851 172.1658 24 A 4.9482 9.1616 127.9694 50.6809 20.3555 175.5398 25 A 4.7769 8.1244 122.7961 49.9855 21.4207 176.5817 26 S 4.3101 8.6094 115.2902 57.7090 66.1436 175.0871 27 G 4.1366 9.0957 111.1166 46.6664 0.0000 172.4915 *29 F 4.5887 7.3296 112.6324 56.7936 38.9259 174.8214 30 T 4.4284 8.4162 117.6421 62.1657 67.9059 175.4749 31 F 4.6915 8.7009 130.7504 61.3090 39.5473 176.8014 32 G 3.8593 8.3809 108.4208 48.5971 0.0000 174.4082 33 S 4.1217 8.1174 114.9849 60.1343 63.2326 173.5827 *39 F 5.3019 7.7066 120.1085 58.4078 40.4651 174.7534 40 S 4.8068 8.1464 117.5855 58.1725 64.9714 171.5806 41 M 5.0109 7.9871 111.9466 56.2071 34.7992 173.7347 42 S 5.3494 8.7943 115.2007 56.6007 68.2119 172.9202 43 W 5.2671 9.1118 120.4145 55.0549 32.2192 175.0341 44 V 5.0724 9.1887 124.9571 61.1147 34.1200 174.8990 45 R 4.8490 8.9331 124.2525 54.9252 32.9150 175.3271 46 Q 4.7583 8.6687 120.5437 54.7860 31.7072 174.1939 47 A 4.6210 8.6472 129.5612 50.8439 19.3067 175.0450 48 P 4.1665 0.0000 0.0000 64.1720 31.9837 177.2874 49 G 4.0279 8.9165 112.9207 46.1810 0.0000 171.9630 50 G 4.1707 7.6088 104.1725 43.6684 0.0000 172.1808 51 G 3.9878 8.2447 108.5504 44.0676 0.0000 173.1264 52 L 4.5097 8.1961 118.9812 54.7436 42.5652 176.9406 53 E 4.7119 9.1092 123.4694 54.2415 32.9214 174.1452 54 W 4.6180 9.2192 135.0000 57.6774 31.1128 175.5309 55 V 4.0625 7.5359 124.7742 63.5698 34.1234 174.7495 56 A 3.8534 6.5201 119.0013 51.6775 22.1623 175.1066 57 G 4.5292 7.9947 105.4502 45.7227 0.0000 172.1020 58 L 5.1143 8.7802 119.1293 52.9686 45.6110 176.8970 59 S 4.0840 8.1061 117.7888 58.2722 64.6455 173.5092 60 A 3.7663 8.3275 124.3341 54.3822 16.7076 178.8082 61 R 3.7794 8.4852 119.8483 57.3494 31.6355 176.4379 *65 S 4.6512 7.4700 109.5272 58.5554 63.0374 173.0360 66 S 4.7519 8.2193 114.9836 58.3975 64.3408 174.4268 67 L 4.2619 7.6889 121.6613 54.9612 42.0878 177.3875 68 T 4.5242 8.3604 114.4361 60.9181 70.9217 173.9070 69 H 5.0073 7.9940 117.8502 54.9382 33.2395 172.3670 70 Y 5.0073 8.9298 119.2397 55.9216 42.0095 174.7959 71 A 4.7477 8.0756 122.6746 51.3774 19.9574 178.4015 72 D 4.4280 9.2100 120.8207 57.8545 40.6220 179.9597 73 S 4.0339 7.9850 113.2693 60.9933 63.5927 175.9007 74 V 3.4983 7.3546 113.1477 59.8231 31.6411 176.3240 75 K 3.9379 7.0177 119.4742 57.4205 32.4308 177.3130 76 G 4.1482 8.5502 108.6671 46.4940 0.0000 173.9054 77 R 4.5167 7.6181 117.4152 56.9998 33.5646 175.2142 78 F 5.5619 8.0845 115.7831 56.0408 41.2611 175.4510 79 T 4.9093 9.0411 119.0410 61.8051 72.4649 173.1886 80 I 5.1736 9.0172 124.3720 58.4661 40.2194 174.6888 81 S 4.9884 8.7080 124.4804 56.6778 66.2343 172.8617 82 R 4.5333 8.2581 115.5842 54.5230 32.0632 175.1878 83 D 4.7591 8.2544 122.9410 52.0243 40.2677 175.8839 84 N 4.2130 8.6842 121.5899 55.8309 39.2810 177.5376 85 A 4.0091 8.1744 119.9065 55.4165 18.5578 178.4554 86 K 4.2796 7.9573 111.8258 55.9584 32.0878 176.5310 87 N 4.1825 7.7869 115.6184 54.3346 38.1259 173.1417 88 S 5.4545 7.6581 109.3158 56.4081 67.7265 172.3394 89 V 4.3839 8.3130 118.3054 61.4855 34.5145 173.5563 90 Y 5.4408 8.3066 125.2746 56.4956 40.5954 174.7332 91 L 4.5964 8.3123 125.5198 53.1768 43.5656 175.1263 92 Q 4.1723 8.8462 129.6134 56.0257 30.1471 174.3394 93 M 4.2648 8.4339 127.2504 53.4220 34.0511 175.1423 94 N 5.1506 8.5684 120.1945 51.2738 42.4424 174.1621 95 S 3.8384 8.5846 113.5070 59.5191 60.6069 173.3956 96 L 4.3248 7.6030 119.7333 55.1839 42.4629 177.6621 97 R 4.9109 8.6215 121.5025 54.0640 32.4605 177.6021 98 V 3.7140 8.1940 118.6477 65.5764 31.5940 176.9857 99 E 4.4162 8.1304 115.3870 56.9829 29.7986 176.5891 100 D 4.7010 7.9083 119.4898 55.7346 41.8268 176.2169 101 T 4.2149 7.1571 115.0376 64.7657 68.8764 173.2632 102 A 4.5883 8.6202 126.3202 51.0338 23.7690 175.3763 103 V 4.2670 7.9822 119.8786 61.8692 33.1432 174.6585 104 Y 4.9080 8.9190 122.7860 56.6301 39.8991 174.4446 105 Y 5.4527 9.5087 122.8295 56.6801 40.9693 172.2772 106 C 5.1170 9.0206 115.8016 53.4700 45.5634 172.6052 107 A 4.9453 8.0827 123.3654 49.8455 21.6775 175.3629 108 R 4.8887 7.9797 115.8967 55.0644 32.1485 175.4413 109 R 5.0017 8.5801 118.4373 54.6176 33.0982 175.9253 110 S 4.8092 8.2274 120.2137 57.5469 63.9992 173.5813 111 Y 3.5523 8.5065 124.0838 57.6082 38.5994 175.0338 112 D 4.5133 8.1191 128.1725 52.9467 41.0355 176.8383 113 S 3.8323 8.6149 122.2641 60.5279 62.5745 174.5159 114 S 4.7959 7.6180 115.9975 58.3835 63.1183 173.7704 115 G 4.0403 8.1349 106.6120 44.6604 0.0000 172.8669 116 Y 4.5347 7.6458 117.5762 55.1675 41.0728 174.3185 *129 A 4.2665 8.3371 120.5496 53.0076 19.4663 177.3314 130 G 3.9274 9.8989 109.9593 45.9836 0.0000 173.2387 131 H 4.6092 7.2114 116.2492 55.0103 29.7880 174.0309 132 F 4.2892 8.0368 116.7376 58.0395 40.0114 175.6364 133 Y 4.5391 7.2822 117.2774 56.3781 38.2067 174.8646 134 S 4.5451 7.6099 113.6262 58.3401 65.0143 174.5970 135 Y 4.8275 7.0794 117.7372 55.2264 40.4423 175.1039 136 M 4.6236 8.9919 121.0330 53.3154 32.1253 175.4175 137 D 4.7874 8.7151 124.3056 54.2685 40.8138 177.0011 138 V 4.6601 7.5506 118.7592 60.6725 34.6294 174.4569 139 W 5.0200 8.8346 125.5569 54.7203 32.9066 175.4512 140 G 4.1317 8.9604 110.6945 46.0599 0.0000 173.3357 141 Q 4.4677 8.7650 117.2925 55.8687 29.5066 177.1642 142 G 3.8949 8.9428 104.3303 45.2012 0.0000 173.1280 143 T 4.5655 8.2982 114.4085 60.1323 71.0704 172.8343 144 L 4.5176 8.7462 131.3816 55.1855 43.8862 175.4757 145 V 4.6465 8.7822 125.1113 61.4252 34.5911 174.1170 146 T 4.8099 8.6563 124.1085 61.8789 71.7619 173.5520 147 V 4.7142 8.3577 126.8204 61.6000 31.7203 175.7095 148 S 4.1519 8.7154 120.4696 57.3894 64.2228 173.4064 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 Q 8.20 4.40 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.82 0.00 0.00 0.00 0.00 0.00 2.26 1.96 0.00 2 V 7.57 4.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.87 0.00 0.00 3 Q 9.82 4.65 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 4 L 8.46 5.05 0.00 1.56 1.51 0.77 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.64 4.32 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.93 0.00 0.00 6 E 9.01 5.82 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 7 S 8.25 4.47 0.00 3.93 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *9 G 8.78 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.42 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.14 4.61 0.00 2.71 2.55 0.00 0.00 6.72 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.54 4.59 0.00 1.69 1.54 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.67 4.57 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.98 0.00 0.00 14 Q 8.40 5.17 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.09 0.00 0.00 0.00 0.00 0.00 2.40 2.21 0.00 15 P 0.00 4.67 0.00 2.04 2.01 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 16 G 8.94 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.10 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.98 4.90 0.00 3.89 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.55 4.14 0.00 1.53 1.23 0.77 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.50 4.84 0.00 1.66 1.65 0.00 3.04 0.00 0.00 2.89 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.45 0.00 21 L 8.02 4.62 0.00 1.16 1.47 0.25 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.27 5.46 0.00 4.19 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 9.34 5.05 0.00 2.82 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 9.16 4.95 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.12 4.78 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.61 4.31 0.00 3.81 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 9.10 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *29 F 7.33 4.59 0.00 3.29 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.42 4.43 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 31 F 8.70 4.69 0.00 2.77 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.38 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.12 4.12 0.00 3.79 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *39 F 7.71 5.30 0.00 3.21 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.15 4.81 0.00 3.45 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 M 7.99 5.01 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.02 0.00 42 S 8.79 5.35 0.00 3.71 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 W 9.11 5.27 0.00 3.14 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 9.19 5.07 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 1.08 0.00 0.00 45 R 8.93 4.85 0.00 0.67 1.41 0.00 2.89 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.39 0.00 46 Q 8.67 4.76 0.00 2.38 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.66 0.00 47 A 8.65 4.62 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.17 0.00 2.08 2.05 0.00 3.86 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 49 G 8.92 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.61 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.24 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.20 4.51 0.00 1.58 1.74 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.11 4.71 0.00 2.07 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 54 W 9.22 4.62 0.00 3.38 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.54 4.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.01 0.00 0.00 56 A 6.52 3.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.99 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.78 5.11 0.00 1.45 1.42 0.74 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.11 4.08 0.00 3.67 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.33 3.77 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.49 3.78 0.00 1.87 1.96 0.00 3.13 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 *65 S 7.47 4.65 0.00 3.84 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.22 4.75 0.00 3.71 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.69 4.26 0.00 1.56 1.59 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.36 4.52 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 69 H 7.99 5.01 0.00 3.27 3.56 0.00 5.56 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.93 5.01 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.08 4.75 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 9.21 4.43 0.00 2.76 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 7.98 4.03 0.00 3.96 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.35 3.50 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.93 0.00 0.00 75 K 7.02 3.94 0.00 2.03 1.66 0.00 1.90 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.43 7.81 76 G 8.55 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.62 4.52 0.00 1.54 1.90 0.00 3.04 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 78 F 8.08 5.56 0.00 2.81 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 9.04 4.91 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 80 I 9.02 5.17 1.99 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.91 0.85 0.00 0.00 81 S 8.71 4.99 0.00 4.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.26 4.53 0.00 1.55 1.69 0.00 2.89 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 83 D 8.25 4.76 0.00 2.99 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.68 4.21 0.00 2.85 2.88 0.00 0.00 6.90 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.17 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.96 4.28 0.00 1.79 1.91 0.00 1.81 0.00 0.00 1.92 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.46 7.81 87 N 7.79 4.18 0.00 2.91 2.72 0.00 0.00 6.69 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.66 5.45 0.00 3.79 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.31 4.38 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.12 0.00 0.00 90 Y 8.31 5.44 0.00 3.02 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.31 4.60 0.00 0.27 0.38 0.65 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.85 4.17 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.54 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 93 M 8.43 4.26 0.00 1.01 1.40 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.81 0.00 94 N 8.57 5.15 0.00 2.81 2.68 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.58 3.84 0.00 4.02 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.60 4.32 0.00 1.69 1.63 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.62 4.91 0.00 1.90 2.05 0.00 3.12 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 98 V 8.19 3.71 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.95 0.00 0.00 99 E 8.13 4.42 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 100 D 7.91 4.70 0.00 2.98 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.16 4.21 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 102 A 8.62 4.59 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.98 4.27 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.38 0.00 0.00 104 Y 8.92 4.91 0.00 2.96 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 9.51 5.45 0.00 3.43 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 9.02 5.12 0.00 1.95 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.08 4.95 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.98 4.89 0.00 1.84 1.85 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.46 0.00 109 R 8.58 5.00 0.00 1.84 1.90 0.00 3.10 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 110 S 8.23 4.81 0.00 3.94 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 8.51 3.55 0.00 2.80 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.12 4.51 0.00 2.60 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.61 3.83 0.00 3.91 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.62 4.80 0.00 3.71 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.13 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.65 4.53 0.00 2.99 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *129 A 8.34 4.27 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 9.90 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 7.21 4.61 0.00 2.04 2.62 0.00 5.65 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.04 4.29 0.00 2.76 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 7.28 4.54 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 S 7.61 4.55 0.00 3.97 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Y 7.08 4.83 0.00 3.06 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 M 8.99 4.62 0.00 1.59 2.17 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.36 0.00 137 D 8.72 4.79 0.00 2.93 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 7.55 4.66 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.82 0.00 0.00 139 W 8.83 5.02 0.00 3.10 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.96 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.77 4.47 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 142 G 8.94 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.30 4.57 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 144 L 8.75 4.52 0.00 1.83 1.53 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.78 4.65 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.64 0.00 0.00 146 T 8.66 4.81 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 147 V 8.36 4.71 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.98 0.00 0.00 148 S 8.72 4.15 0.00 4.12 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.